Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C19H19ClN2.C6H6O7.2Na |
| Molecular Weight | 546.908 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O.ClC1=CC2=C(C=C1)C(=C3CCNCC3)C4=C(CC2)C=CC=N4
InChI
InChIKey=RDLARMRWOHXAFV-UHFFFAOYSA-L
InChI=1S/C19H19ClN2.C6H8O7.2Na/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;;2*+1/p-2
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C19H19ClN2 |
| Molecular Weight | 310.821 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H6O7 |
| Molecular Weight | 190.1076 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:17:15 UTC 2023
by
admin
on
Sat Dec 16 18:17:15 UTC 2023
|
| Record UNII |
CZ422FA2AK
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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CZ422FA2AK
Created by
admin on Sat Dec 16 18:17:16 UTC 2023 , Edited by admin on Sat Dec 16 18:17:16 UTC 2023
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1602766-05-1
Created by
admin on Sat Dec 16 18:17:16 UTC 2023 , Edited by admin on Sat Dec 16 18:17:16 UTC 2023
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100000164231
Created by
admin on Sat Dec 16 18:17:16 UTC 2023 , Edited by admin on Sat Dec 16 18:17:16 UTC 2023
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163203578
Created by
admin on Sat Dec 16 18:17:16 UTC 2023 , Edited by admin on Sat Dec 16 18:17:16 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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